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<p>The layered cobaltate CaCoO<sub><b>2</b></sub> exhibits a unique herringbone-like structure. Serving as a potential prototype for a new class of complex lattice patterns, we study the properties of CaCoO<sub><b>2</b></sub> using X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS). Our results reveal a significant inter-plane hybridization between the Ca <b>4s-</b> and Co <b>3d-</b> orbitals, leading to an inversion of the textbook orbital occupation of a square planar geometry. Further, our RIXS data reveal a strong low energy mode, with anomalous intensity modulations as a function of momentum transfer close to a quasi-static response. These findings indicate that the newly discovered herringbone structure exhibited in CaCoO<sub><b>2</b></sub> may serve as a promising laboratory for the design of materials having strong electronic, orbital and lattice correlations.</p>

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Orbital inversion and emergent lattice dynamics in infinite layer CaCoO2

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年6月16日

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  • Daniel Jost,
  • Eder G. Lomeli,
  • Woo Jin Kim,
  • Emily M. Been,
  • Matteo Rossi,
  • Stefano Agrestini,
  • Ke-Jin Zhou,
  • Chunjing Jia,
  • Brian Moritz,
  • Zhi-Xun Shen,
  • Harold Y. Hwang,
  • Thomas P. Devereaux,
  • Wei-Sheng Lee

摘要

The layered cobaltate CaCoO2 exhibits a unique herringbone-like structure. Serving as a potential prototype for a new class of complex lattice patterns, we study the properties of CaCoO2 using X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS). Our results reveal a significant inter-plane hybridization between the Ca 4s- and Co 3d- orbitals, leading to an inversion of the textbook orbital occupation of a square planar geometry. Further, our RIXS data reveal a strong low energy mode, with anomalous intensity modulations as a function of momentum transfer close to a quasi-static response. These findings indicate that the newly discovered herringbone structure exhibited in CaCoO2 may serve as a promising laboratory for the design of materials having strong electronic, orbital and lattice correlations.